MMsINC Database Search


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MMsINC code: MMs01400851

Type: Neutral
Formula: C₁₄H₁₄ClNO₂S

SMILES:

Clc1cc(S(=O)(=O)NC(C)c2ccccc2)ccc1

InChI:

InChI=1/C14H14ClNO2S/c1-11(12-6-3-2-4-7-12)16-19(17,18)14-9-5-8-13(15)10-14/h2-11,16H,1H3/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=22.1104 kcal/mol

Physical Properties
Molecular Weight: 295.79 g/mol	logS: -4.05226	SlogP: 3.475	Reactive groups: 0

Topological Properties
Globularity: 0.0967887	Sterimol/B1: 2.15709	Sterimol/B2: 4.63309	Sterimol/B3: 4.68045
Sterimol/B4: 5.7299	Sterimol/L: 14.5088

Surface and Volume Properties
Accessible surface: 497.184	Positive charged surface: 213.032	Negative charged surface: 284.152	Volume: 261.625
Hydrophobic surface: 407.453	Hydrophilic surface: 89.731

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.